Information card for entry 2104691

Structure parameters

• Common name: L-Abu
• Chemical name: (S)-2-aminobutyric acid
• Formula: C4 H9 N O2
• Calculated formula: C4 H9 N O2
• SMILES: O=C([O-])[C@@H]([NH3+])CC
• Title of publication: <small>L</small>-2-Aminobutyric acid: two fully ordered polymorphs with <i>Z</i>' = 4
• Authors of publication: Görbitz, Carl Henrik
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: 253 - 259
• a: 9.614 ± 0.006 Å
• b: 5.227 ± 0.003 Å
• c: 21.385 ± 0.013 Å
• α: 90°
• β: 100.326 ± 0.007°
• γ: 90°
• Cell volume: 1057.2 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Cell measurement pressure: 101 ± 1 kPa
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes